Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.61 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24022744 | 0.85 | PARP1 (0.52) | PKMPARP1GRIN2BCES2CES1 | |
| SCHEMBL24022828 | 0.82 | NPC1 (0.61) | PKMGRIN2BKMT2AMEN1NPC1 | |
| SCHEMBL18938347 | 0.81 | KMT2A (0.61) | PKMPARP1GRIN2BKMT2AMEN1 | |
| SCHEMBL22044405 | 0.80 | PARP1 (0.50) | PKMPARP1GRIN2BCES2CES1 | |
| SCHEMBL102455 | 0.80 | PARP1 (0.59) | PKMPARP1GRIN2BCES2CES1 | |
| SCHEMBL102454 | 0.80 | PARP1 (0.59) | PKMPARP1GRIN2BCES2CES1 | |
| SCHEMBL18891443 | 0.78 | PBRM1 (0.55) | GRIN2BKMT2AMEN1ALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL9828825 | 0.77 | PARP1 (0.55) | PKMPARP1GRIN2BCES2CES1 | |
| SCHEMBL22044441 | 0.77 | PARP1 (0.55) | PKMPARP1HDAC6NPC1RAB9A | |
| SCHEMBL24715247 | 0.74 | PRSS1 (0.46) | GRIN2BKMT2AMEN1POLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021228992-A1 | NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY | RIGSHOSPITALET (DK) | 2021-11-18 | — | — | WO | disclosed |
| EP-3909944-A1 | NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY | Rigshospitalet (DK) | 2021-11-17 | — | — | EP | disclosed |
| WO-2020108720-A1 | NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING | Københavns Universitet (DK) | 2020-06-04 | — | — | WO | disclosed |